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Information card for entry 2240525
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| Coordinates | 2240525.cif |
|---|---|
| Structure factors | 2240525.hkl |
| Original paper (by DOI) | HTML |
| Common name | 2,3-Bis[(4-<i>tert</i>-butyl-2,6-dimethylphenyl)imino]butane |
|---|---|
| Chemical name | 4-<i>tert</i>-Butyl-<i>N</i>-{3-[(4-<i>tert</i>-butyl-2,6-dimethylphenyl)imino]butan-2-ylidene}-2,6-dimethylaniline |
| Formula | C28 H40 N2 |
| Calculated formula | C28 H40 N2 |
| SMILES | c1(c(cc(cc1C)C(C)(C)C)C)/N=C(\C)/C(=N/c1c(cc(cc1C)C(C)(C)C)C)C |
| Title of publication | Crystal structure of 2,3-bis[(4-<i>tert</i>-butyl-2,6-dimethylphenyl)imino]butane |
| Authors of publication | Zhao, Sheng-Lan; Yuan, Jian-Chao; Zhao, Yan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | o258 |
| a | 5.993 ± 0.006 Å |
| b | 10.064 ± 0.009 Å |
| c | 11.614 ± 0.011 Å |
| α | 107.913 ± 0.009° |
| β | 100.484 ± 0.01° |
| γ | 99.26 ± 0.009° |
| Cell volume | 637.5 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1535 |
| Residual factor for significantly intense reflections | 0.1024 |
| Weighted residual factors for significantly intense reflections | 0.2008 |
| Weighted residual factors for all reflections included in the refinement | 0.2204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240525.cif 2240525.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240525.cif 2240525.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240525.cif 2240525.hkl |
| 134395 | 2015-03-26 | cif/ hkl/ Adding structures of 2240525 via cif-deposit CGI script. |
2240525.cif 2240525.hkl |
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Users of the data should acknowledge the original authors of the
structural data.